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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.7
BDBM61807
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61807
PNG
(1-(4,4,7,8-tetramethyl-1-thioxo-dithiolo[3,4-c]qui...)
Show SMILES Cc1cc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2cc1C |t:9|
Show InChI InChI=1S/C19H20N2OS5/c1-10-7-12-13(8-11(10)2)21(14(22)9-25-18-20-5-6-24-18)19(3,4)16-15(12)17(23)27-26-16/h7-8H,5-6,9H2,1-4H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.22E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61807
PNG
(1-(4,4,7,8-tetramethyl-1-thioxo-dithiolo[3,4-c]qui...)
Show SMILES Cc1cc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2cc1C |t:9|
Show InChI InChI=1S/C19H20N2OS5/c1-10-7-12-13(8-11(10)2)21(14(22)9-25-18-20-5-6-24-18)19(3,4)16-15(12)17(23)27-26-16/h7-8H,5-6,9H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair